3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-ethyl-N-(3-morpholin-4-ylpropyl)propanamide

C18H30N4O3 — CID 46986495

IUPAC3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-ethyl-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCCN(CCCN1CCOCC1)C(=O)CCn1c(C)cc(C)nc1=O
InChIInChI=1S/C18H30N4O3/c1-4-21(8-5-7-20-10-12-25-13-11-20)17(23)6-9-22-16(3)14-15(2)19-18(22)24/h14H,4-13H2,1-3H3
InChIKeyVMJKDNUOXWXILJ-UHFFFAOYSA-N
MW350.46 g/mol
LogP0.82
Rot. Bonds8

About 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-ethyl-N-(3-morpholin-4-ylpropyl)propanamide

3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-ethyl-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 46986495) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-ethyl-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-ethyl-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID46986495
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-ethyl-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCCN(CCCN1CCOCC1)C(=O)CCn1c(C)cc(C)nc1=O
InChIInChI=1S/C18H30N4O3/c1-4-21(8-5-7-20-10-12-25-13-11-20)17(23)6-9-22-16(3)14-15(2)19-18(22)24/h14H,4-13H2,1-3H3
InChIKeyVMJKDNUOXWXILJ-UHFFFAOYSA-N
XLogP0.82
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-ethyl-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-ethyl-N-(3-morpholin-4-ylpropyl)propanamide (CID 46986495) is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-ethyl-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-ethyl-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-ethyl-N-(3-morpholin-4-ylpropyl)propanamide is CCN(CCCN1CCOCC1)C(=O)CCn1c(C)cc(C)nc1=O.
What is the InChIKey of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-ethyl-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is VMJKDNUOXWXILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-4-21(8-5-7-20-10-12-25-13-11-20)17(23)6-9-22-16(3)14-15(2)19-18(22)24/h14H,4-13H2,1-3H3.
What are the key properties of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-ethyl-N-(3-morpholin-4-ylpropyl)propanamide?
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-ethyl-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 350.46 g/mol, XLogP of 0.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-ethyl-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 46986495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).